SCHEMBL5528199

SCHEMBL5528199

CC1(C)COB(c2ccc(Br)cc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
TAAR1 Q96RJ0 1/20 0.35
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4264297 0.89 SNCA (0.44) SNCALPLLIPG
SCHEMBL2274567 0.83 LPL (0.42) SNCALPLLIPG
SCHEMBL4257326 0.83 SNCA (0.48) SNCALPLLIPG
SCHEMBL12370809 0.82 SNCA (0.41) SNCALPLLIPG
SCHEMBL28543193 0.81 LPL (0.34) TAAR1LPLLIPG
SCHEMBL3186952 0.80 SNCA (0.40) SNCALPLLIPG
SCHEMBL5524734 0.80 SNCA (0.40) SNCALPLLIPGCYP2A6
SCHEMBL1136930 0.80 LPL (0.52) SNCALPLLIPGALDH1A1
SCHEMBL3711441 0.80 SNCA (0.40) SNCALPLLIPG
SCHEMBL9935185 0.80 SNCA (0.40) SNCALPLLIPGALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US claimed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US claimed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 WO claimed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20070105826-A1 Novel fusidic acid derivatives LEO PHARMA A/S (DK) 2007-05-10 US disclosed
EP-1658305-A1 NOVEL FUSIDIC ACID DERIVATIVES Leo Pharma A/S (DK) 2006-05-24 EP disclosed
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US disclosed
WO-2005007669-A1 NOVEL FUSIDIC ACID DERIVATIVES LEO PHARMA A/S (DK) 2005-01-27 WO disclosed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US disclosed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof LIPE, CEL, LIPA SNCA 2698/4885TAAR1 3412/4885LPL 5/4885
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 SNCA 1133/4885TAAR1 198/4885LPL 4234/4885
US-20070105826-A1 Novel fusidic acid derivatives FUS, Q6ZSR9, RPL24 SNCA 4592/4885TAAR1 4846/4885LPL 3732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.